Geometry & MOs

Info

ID:	122450
PubChem CID:	50807215
Reduced:	SN4O4C22H22 (1)
Stoich.:	AB4C4D22E22 (1)
Weight, g/mol:	330.115047
ΔH_f, kcal/mol:	-88.55
Dipole, Da:	4.36
IP(EA), eV:	-8.46(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(11,13-dimethyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-propylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C=N3)CC(=O)NCC4=C(C(=CC=C4)OC)OC)C

DOS

IR

Vibrations